CID 1096293

27582-37-2

Structural Information

Molecular Formula

C₉H₇ClN₄O₂

SMILES

C1=CC(=CC=C1C2=NN(N=N2)CC(=O)O)Cl

InChI

InChI=1S/C9H7ClN4O2/c10-7-3-1-6(2-4-7)9-11-13-14(12-9)5-8(15)16/h1-4H,5H2,(H,15,16)

InChIKey

IFIZLMBMWFHCOO-UHFFFAOYSA-N

Compound name

2-[5-(4-chlorophenyl)tetrazol-2-yl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 238.02576 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	239.03304	148.0
[M+Na]+	261.01498	161.6
[M+NH4]+	256.05958	154.1
[M+K]+	276.98892	158.2
[M-H]-	237.01848	148.0
[M+Na-2H]-	259.00043	154.9
[M]+	238.02521	149.9
[M]-	238.02631	149.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe